SCHEMBL4836980

SCHEMBL4836980

CC(C)(C)OC(=O)c1ccc(OCCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
CA4 P22748 3/20 0.40
ALDH1A1 P00352 2/20 0.38
RORC P51449 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP8 P22894 6/20 0.38
MMP3 P08254 3/20 0.38
TRPA1 O75762 5/20 0.37
PTGER3 P43115 1/20 0.36
RAB9A P51151 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4841750 0.94 RORC (0.38) CA12CA1CA2CA9CA4
SCHEMBL4841040 0.93 MAPT (0.40) ALDH1A1RORCNPSR1MMP8MMP3
SCHEMBL4844821 0.93 RORC (0.38) CA12CA1CA2CA9CA4
SCHEMBL4840531 0.92 RORC (0.39) CA12CA1CA2CA9CA4
SCHEMBL4837466 0.91 TRPA1 (0.40) CA12CA1CA2CA9CA4
SCHEMBL4833757 0.91 CA12 (0.42) CA12CA1CA2CA9CA4
SCHEMBL4841307 0.91 RORC (0.37) RORCMMP8MMP3TRPA1
SCHEMBL4843678 0.89 TRPA1 (0.38) CA12CA1CA2CA9CA4
SCHEMBL4843300 0.89 TRPA1 (0.39) CA12CA1CA2CA9CA4
SCHEMBL4843240 0.87 MMP8 (0.42) CA12CA1CA2CA9CA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 CA12 4875/4885CA1 4641/4885CA2 4221/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.